methyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylate

Systemtic Name: methyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylate Openeye Name: methyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylate CAS Name: 1-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-4-(3-cyano-2-pyrazinyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylate Traditional Name: 1-[(E)-3-(3-chlorophenyl)acryloyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxylic acid methyl ester Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)Cl)C3=NC=CN=C3C#N

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)/C=C/C2=CC(=CC=C2)Cl)C3=NC=CN=C3C#N

InChI

InChI=1S/C20H18ClN5O3/c1-29-20(28)17-13-25(19-16(12-22)23-7-8-24-19)9-10-26(17)18(27)6-5-14-3-2-4-15(21)11-14/h2-8,11,17H,9-10,13H2,1H3/b6-5+